N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C15H14N4OS — CID 890468

IUPACN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc3ccccn23)cc1
InChIInChI=1S/C15H14N4OS/c1-11-5-7-12(8-6-11)16-14(20)10-21-15-18-17-13-4-2-3-9-19(13)15/h2-9H,10H2,1H3,(H,16,20)
InChIKeyDTSJXGGDUOORKP-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.77
Rot. Bonds4

About N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 890468) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID890468
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc3ccccn23)cc1
InChIInChI=1S/C15H14N4OS/c1-11-5-7-12(8-6-11)16-14(20)10-21-15-18-17-13-4-2-3-9-19(13)15/h2-9H,10H2,1H3,(H,16,20)
InChIKeyDTSJXGGDUOORKP-UHFFFAOYSA-N
XLogP2.77
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 890468) is N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSc2nnc3ccccn23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is DTSJXGGDUOORKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-11-5-7-12(8-6-11)16-14(20)10-21-15-18-17-13-4-2-3-9-19(13)15/h2-9H,10H2,1H3,(H,16,20).
What are the key properties of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 890468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).